Qiao Baofu wrote:
Hi all,
Now I meet a problem when building a system. I used prodrg to get the
.pdb of a single molecule, write the .top file manually. The
single-molecule system is equilibriumed (em, NVE, NTV,NTP are all ok for
at least 1 ns). Then I used two method to get a bigger (8 mo
Hi all,
Now I meet a problem when building a system. I used prodrg to get the .pdb
of a single molecule, write the .top file manually. The single-molecule
system is equilibriumed (em, NVE, NTV,NTP are all ok for at least 1 ns).
Then I used two method to get a bigger (8 molecules) system: 1) ge
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